2-chloro-6-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidine-4-carboxamide

C14H20ClN3O — CID 114219602

IUPAC2-chloro-6-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NCC2C(C)(C)C2(C)C)nc(Cl)n1
InChIInChI=1S/C14H20ClN3O/c1-8-6-9(18-12(15)17-8)11(19)16-7-10-13(2,3)14(10,4)5/h6,10H,7H2,1-5H3,(H,16,19)
InChIKeyDPPFEYARNKSYDH-UHFFFAOYSA-N
MW281.79 g/mol
LogP2.85
Rot. Bonds3

About 2-chloro-6-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidine-4-carboxamide

2-chloro-6-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidine-4-carboxamide (PubChem CID 114219602) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is 2-chloro-6-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-6-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidine-4-carboxamide
PubChem CID114219602
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC Name2-chloro-6-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NCC2C(C)(C)C2(C)C)nc(Cl)n1
InChIInChI=1S/C14H20ClN3O/c1-8-6-9(18-12(15)17-8)11(19)16-7-10-13(2,3)14(10,4)5/h6,10H,7H2,1-5H3,(H,16,19)
InChIKeyDPPFEYARNKSYDH-UHFFFAOYSA-N
XLogP2.85
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyridazine-3-carboxamide
CID 79357896
2-chloro-6-methyl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide
CID 162574364
N-(2-butoxyethyl)-2-chloro-6-methylpyrimidine-4-carboxamide
CID 114219515
2-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]-6-methylpyrimidine-4-carboxamide
CID 114219727
N-tert-butyl-2-chloro-6-methylpyrimidine-4-carboxamide
CID 102538215
5-[(2-chloro-6-methylpyrimidine-4-carbonyl)amino]hexanoic acid
CID 114219398
2-chloro-6-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-4-carboxamide
CID 114219521
2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-6-methylpyrimidine-4-carboxamide
CID 114219723
1-(2-chloro-6-methylpyrimidin-4-yl)ethanone
CID 142838976
2-chloro-6-methyl-N-[2-(oxolan-3-yl)ethyl]pyrimidine-4-carboxamide
CID 114219715
2-chloro-6-methyl-N-(oxetan-3-yl)pyrimidine-4-carboxamide
CID 130485725
6-chloro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyridine-3-carboxamide
CID 79359056

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidine-4-carboxamide?
The IUPAC name of 2-chloro-6-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidine-4-carboxamide (CID 114219602) is 2-chloro-6-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-chloro-6-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidine-4-carboxamide?
The canonical SMILES for 2-chloro-6-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidine-4-carboxamide is Cc1cc(C(=O)NCC2C(C)(C)C2(C)C)nc(Cl)n1.
What is the InChIKey of 2-chloro-6-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidine-4-carboxamide?
The InChIKey is DPPFEYARNKSYDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O/c1-8-6-9(18-12(15)17-8)11(19)16-7-10-13(2,3)14(10,4)5/h6,10H,7H2,1-5H3,(H,16,19).
What are the key properties of 2-chloro-6-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidine-4-carboxamide?
2-chloro-6-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidine-4-carboxamide has a molecular weight of 281.79 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 114219602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).